[3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [3-[[4-methyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [3-[[[4-methyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [3-[[4-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [3-[[[4-methyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1CCCCN1C2=NC(=NC(=C2)C)SCC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H30N4OS/c1-17-14-21(27-13-4-3-8-18(27)2)25-23(24-17)29-16-19-9-7-10-20(15-19)22(28)26-11-5-6-12-26/h7,9-10,14-15,18H,3-6,8,11-13,16H2,1-2H3